4-bromo-5-cyclopropyl-1-prop-2-enylpyrazole

C9H11BrN2 — CID 130645143

IUPAC4-bromo-5-cyclopropyl-1-prop-2-enylpyrazole
SMILESC=CCn1ncc(Br)c1C1CC1
InChIInChI=1S/C9H11BrN2/c1-2-5-12-9(7-3-4-7)8(10)6-11-12/h2,6-7H,1,3-5H2
InChIKeyOQJZJXVTYPYORB-UHFFFAOYSA-N
MW227.10 g/mol
LogP2.71
Rot. Bonds3

About 4-bromo-5-cyclopropyl-1-prop-2-enylpyrazole

4-bromo-5-cyclopropyl-1-prop-2-enylpyrazole (PubChem CID 130645143) has the molecular formula C9H11BrN2 and a molecular weight of 227.10 g/mol. Its IUPAC name is 4-bromo-5-cyclopropyl-1-prop-2-enylpyrazole.

Molecular Properties

Compound Name4-bromo-5-cyclopropyl-1-prop-2-enylpyrazole
PubChem CID130645143
Molecular FormulaC9H11BrN2
Molecular Weight227.10 g/mol
Exact Mass226.01
IUPAC Name4-bromo-5-cyclopropyl-1-prop-2-enylpyrazole
SMILESC=CCn1ncc(Br)c1C1CC1
InChIInChI=1S/C9H11BrN2/c1-2-5-12-9(7-3-4-7)8(10)6-11-12/h2,6-7H,1,3-5H2
InChIKeyOQJZJXVTYPYORB-UHFFFAOYSA-N
XLogP2.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,5-dibromo-2-prop-2-enylpyridazin-3-one
CID 10541785
4-(4-bromo-5-cyclopropylpyrazol-1-yl)butanoic acid
CID 19620077
2-[4-bromo-5-(3-bromocyclopentyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 114665381
4-bromo-5-(cyclobutylamino)-2-prop-2-enylpyridazin-3-one
CID 114437022
5-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-4-bromo-2-prop-2-enylpyridazin-3-one
CID 114444225
4-bromo-5-[4-(methylamino)piperidin-1-yl]-2-prop-2-enylpyridazin-3-one
CID 114443592
1-prop-2-enylpyrazole-4,5-diamine
CID 67655592
[4-(4-bromo-5-cyclopropylpyrazol-1-yl)phenyl]methanamine
CID 117471753
4-bromo-5-(3-chlorocycloheptyl)-1-propylpyrazole
CID 114665248
4-bromo-5-[(2-methylpiperidin-4-yl)amino]-2-prop-2-enylpyridazin-3-one
CID 106996090
3-(4-bromo-1-propylpyrazol-5-yl)-N-methylcyclohexan-1-amine
CID 114664137
5-[(2-aminocyclopropyl)amino]-4-bromo-2-prop-2-enylpyridazin-3-one
CID 114443890

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-cyclopropyl-1-prop-2-enylpyrazole?
The IUPAC name of 4-bromo-5-cyclopropyl-1-prop-2-enylpyrazole (CID 130645143) is 4-bromo-5-cyclopropyl-1-prop-2-enylpyrazole.
What is the SMILES notation for 4-bromo-5-cyclopropyl-1-prop-2-enylpyrazole?
The canonical SMILES for 4-bromo-5-cyclopropyl-1-prop-2-enylpyrazole is C=CCn1ncc(Br)c1C1CC1.
What is the InChIKey of 4-bromo-5-cyclopropyl-1-prop-2-enylpyrazole?
The InChIKey is OQJZJXVTYPYORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2/c1-2-5-12-9(7-3-4-7)8(10)6-11-12/h2,6-7H,1,3-5H2.
What are the key properties of 4-bromo-5-cyclopropyl-1-prop-2-enylpyrazole?
4-bromo-5-cyclopropyl-1-prop-2-enylpyrazole has a molecular weight of 227.10 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-cyclopropyl-1-prop-2-enylpyrazole is sourced from PubChem (CID 130645143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).